1-[4-(azetidin-1-ylcarbonyl)-5-[(2-fluoranyl-4-iodanyl-phenyl)amino]-1-methyl-pyrrol-2-yl]ethanone

Systemtic Name: 1-[4-(azetidin-1-ylcarbonyl)-5-[(2-fluoranyl-4-iodanyl-phenyl)amino]-1-methyl-pyrrol-2-yl]ethanone Openeye Name: 1-[4-(azetidine-1-carbonyl)-5-(2-fluoro-4-iodo-anilino)-1-methyl-pyrrol-2-yl]ethanone CAS Name: 1-[4-[1-azetidinyl(oxo)methyl]-5-(2-fluoro-4-iodoanilino)-1-methyl-2-pyrrolyl]ethanone IUPAC Name: 1-[4-(azetidine-1-carbonyl)-5-(2-fluoro-4-iodoanilino)-1-methylpyrrol-2-yl]ethanone Traditional Name: 1-[4-(azetidine-1-carbonyl)-5-(2-fluoro-4-iodo-anilino)-1-methyl-pyrrol-2-yl]ethanone Formula: C17H17FIN3O2 MolecularWeight: 441.238653

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(N1C)NC2=C(C=C(C=C2)I)F)C(=O)N3CCC3

Isomeric SMILES

CC(=O)C1=CC(=C(N1C)NC2=C(C=C(C=C2)I)F)C(=O)N3CCC3

InChI

InChI=1S/C17H17FIN3O2/c1-10(23)15-9-12(17(24)22-6-3-7-22)16(21(15)2)20-14-5-4-11(19)8-13(14)18/h4-5,8-9,20H,3,6-7H2,1-2H3